#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hc5 s ASN 2 N 0.00 3.22 0.03 -1.43 3.84 -1.26 -4.73 114.94 114.61 2hc5 s ASN 2 Ca 0.00 -0.60 0.23 0.00 0.21 0.00 0.00 52.86 52.69 2hc5 s ASN 2 Cb 0.00 -1.49 0.07 0.00 -0.55 0.00 0.00 41.25 39.28 2hc5 s ASN 2 CO 0.00 0.04 1.06 0.00 -2.79 0.00 0.00 177.10 175.40 2hc5 n ILE 3 N 4.37 0.10 0.57 -5.21 3.06 -1.26 -4.11 119.36 116.87 2hc5 n ILE 3 Ca -0.20 -0.15 0.07 0.00 -2.50 0.00 0.00 62.75 59.96 2hc5 n ILE 3 Cb 0.51 0.37 0.32 0.00 0.54 0.00 0.00 39.64 41.38 2hc5 n ILE 3 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2hc5 n GLU 4 N -1.79 0.10 -0.02 9.51 1.02 -1.26 -1.28 120.64 126.92 2hc5 n GLU 4 Ca 0.03 0.21 0.02 0.00 -0.02 0.00 0.00 57.16 57.39 2hc5 n GLU 4 Cb 0.40 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.34 2hc5 n GLU 4 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2hc5 n ARG 5 N -1.39 2.33 -2.87 3.49 1.74 -1.26 -4.58 116.66 114.12 2hc5 n ARG 5 Ca 0.05 -1.54 -0.41 0.00 -0.77 0.00 0.00 57.85 55.17 2hc5 n ARG 5 Cb 0.13 -1.01 -0.04 0.00 -1.02 0.00 0.00 32.46 30.53 2hc5 n ARG 5 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2hc5 s LEU 6 N -1.16 4.27 0.00 0.55 2.96 -0.41 -4.91 118.68 119.98 2hc5 s LEU 6 Ca 0.05 1.33 0.00 0.00 -0.22 0.00 0.00 54.13 55.29 2hc5 s LEU 6 Cb 0.04 -3.30 0.00 0.00 0.50 0.00 0.00 46.19 43.43 2hc5 s LEU 6 CO 0.00 -0.29 0.00 0.35 -1.32 0.00 0.00 176.35 175.09 2hc5 n THR 7 N 4.26 0.00 -4.38 3.68 -2.24 -1.26 -1.14 114.28 113.20 2hc5 n THR 7 Ca 0.04 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.58 2hc5 n THR 7 Cb 0.50 0.23 -0.09 0.00 -2.10 0.00 0.00 70.33 68.88 2hc5 n THR 7 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2hc5 s THR 8 N -1.72 2.97 -0.11 4.28 -1.32 -1.26 -4.44 115.64 114.03 2hc5 s THR 8 Ca 0.00 -2.14 0.17 0.00 -1.21 0.00 0.00 61.69 58.50 2hc5 s THR 8 Cb 0.00 -2.59 0.25 0.00 -1.51 0.00 0.00 72.50 68.65 2hc5 s THR 8 CO 0.00 -0.38 1.13 0.18 -2.21 0.00 0.00 174.62 173.34 2hc5 n LEU 9 N -0.77 2.18 -0.14 9.08 4.32 -1.26 -4.86 117.00 125.55 2hc5 n LEU 9 Ca -0.06 -2.89 -0.04 0.00 -0.02 0.00 0.00 56.01 53.00 2hc5 n LEU 9 Cb 0.60 -0.38 0.02 0.00 -1.62 0.00 0.00 43.42 42.04 2hc5 n LEU 9 CO 0.39 0.67 0.76 -0.61 -1.22 0.00 0.00 177.39 177.38 2hc5 h GLN 10 N 0.00 -0.04 0.00 3.23 5.75 -1.99 0.96 115.11 123.02 2hc5 h GLN 10 Ca 0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 2hc5 h GLN 10 Cb 1.00 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.55 2hc5 h GLN 10 CO 0.00 -0.03 -0.03 -1.35 -2.65 0.00 0.00 178.83 174.78 2hc5 h PRO 11 N -0.04 0.00 -0.01 -2.39 0.11 -1.99 0.12 132.00 127.80 2hc5 h PRO 11 Ca 0.22 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.29 2hc5 h PRO 11 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.48 2hc5 h PRO 11 CO -0.48 0.03 -0.12 0.28 -0.21 0.00 0.00 178.00 177.50 2hc5 h VAL 12 N 0.00 1.53 -0.66 3.15 2.07 -1.23 -2.37 116.25 118.74 2hc5 h VAL 12 Ca -0.00 -1.73 -0.03 0.00 0.82 0.00 0.00 66.70 65.76 2hc5 h VAL 12 Cb 0.06 2.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 2hc5 h VAL 12 CO 0.00 0.46 0.28 -0.50 0.02 0.00 0.00 177.57 177.84 2hc5 h TRP 13 N -0.55 0.96 -0.17 1.57 -0.00 -0.73 0.48 115.95 117.49 2hc5 h TRP 13 Ca -0.01 -0.05 0.05 0.00 -0.00 0.00 0.00 58.89 58.88 2hc5 h TRP 13 Cb 0.82 -0.30 -0.07 0.00 -0.00 0.00 0.00 29.16 29.62 2hc5 h TRP 13 CO 0.17 0.72 -0.29 0.22 -0.00 0.00 0.00 178.44 179.26 2hc5 h ASP 14 N 0.94 -0.92 -0.01 -3.49 1.82 -0.77 -0.09 116.42 113.90 2hc5 h ASP 14 Ca 0.23 0.14 -0.00 0.00 -0.39 0.00 0.00 57.03 57.01 2hc5 h ASP 14 Cb 0.15 0.40 -0.00 0.00 0.68 0.00 0.00 39.33 40.57 2hc5 h ASP 14 CO -0.02 -0.33 -0.01 -0.09 -1.61 0.00 0.00 179.24 177.18 2hc5 h ARG 15 N -0.34 0.03 -0.40 0.28 2.43 -0.88 -2.69 114.38 112.81 2hc5 h ARG 15 Ca 0.11 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.31 2hc5 h ARG 15 Cb 0.51 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 2hc5 h ARG 15 CO -0.37 0.45 0.17 -0.92 -1.51 0.00 0.00 179.97 177.79 2hc5 h TYR 16 N -0.39 0.31 0.00 2.20 3.20 0.09 0.20 116.97 122.57 2hc5 h TYR 16 Ca 0.00 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 2hc5 h TYR 16 Cb 0.44 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 2hc5 h TYR 16 CO 0.07 0.14 -0.13 -0.44 -1.64 0.00 0.00 178.16 176.16 2hc5 h ASP 17 N 0.35 0.00 -0.30 -2.11 3.32 -1.11 0.82 116.42 117.40 2hc5 h ASP 17 Ca 0.18 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.05 2hc5 h ASP 17 Cb 0.13 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 2hc5 h ASP 17 CO -0.16 0.13 -0.52 0.74 -1.72 0.00 0.00 179.24 177.71 2hc5 h THR 18 N 0.00 1.27 0.33 0.35 2.02 -0.83 -3.04 112.91 113.00 2hc5 h THR 18 Ca -0.00 -1.70 -0.02 0.00 0.77 0.00 0.00 66.41 65.46 2hc5 h THR 18 Cb 0.87 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 2hc5 h THR 18 CO 0.02 0.56 -0.16 1.56 0.37 0.00 0.00 175.52 177.87 2hc5 h GLN 19 N 0.69 -0.42 -0.72 6.66 1.08 -0.22 -1.16 115.11 121.02 2hc5 h GLN 19 Ca 0.02 0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.39 2hc5 h GLN 19 Cb 1.13 0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 28.61 2hc5 h GLN 19 CO 0.12 -0.28 0.48 0.82 -0.95 0.00 0.00 178.83 179.02 2hc5 h ILE 20 N -0.96 0.80 0.02 2.54 1.08 -1.01 -2.01 117.51 117.98 2hc5 h ILE 20 Ca -0.04 -0.13 -0.30 0.00 -0.39 0.00 0.00 64.86 63.99 2hc5 h ILE 20 Cb 0.33 0.38 -0.04 0.00 -3.07 0.00 0.00 36.82 34.43 2hc5 h ILE 20 CO 0.07 0.07 -1.71 0.45 -0.69 0.00 0.00 178.15 176.35 2hc5 h HIS 21 N 0.38 0.09 -2.36 1.37 3.86 -1.63 -3.38 115.15 113.50 2hc5 h HIS 21 Ca 0.35 -0.07 -0.65 0.00 -1.16 0.00 0.00 60.37 58.85 2hc5 h HIS 21 Cb 0.82 -0.00 -0.39 0.00 1.06 0.00 0.00 27.41 28.90 2hc5 h HIS 21 CO -0.00 1.13 -0.29 -1.71 0.86 0.00 0.00 177.93 177.92 2hc5 n ASN 22 N -3.14 4.35 -4.77 2.45 5.15 -0.44 -5.07 115.26 113.79 2hc5 n ASN 22 Ca -0.18 -3.44 -0.39 0.00 -0.60 0.00 0.00 54.58 49.97 2hc5 n ASN 22 Cb 1.05 -0.80 -0.03 0.00 -0.53 0.00 0.00 39.78 39.47 2hc5 n ASN 22 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2hc5 s GLN 23 N -2.55 4.25 0.52 1.20 -0.21 -0.87 -4.65 119.66 117.36 2hc5 s GLN 23 Ca 0.38 1.88 0.02 0.00 0.02 0.00 0.00 55.36 57.65 2hc5 s GLN 23 Cb 0.13 -2.86 -0.00 0.00 1.00 0.00 0.00 33.01 31.27 2hc5 s GLN 23 CO 0.01 -0.16 0.06 0.15 -2.12 0.00 0.00 175.29 173.24 2hc5 s LYS 24 N -2.02 2.21 -0.52 2.91 1.02 -1.26 -5.10 119.74 116.98 2hc5 s LYS 24 Ca 0.53 -2.35 0.04 0.00 0.02 0.00 0.00 55.97 54.21 2hc5 s LYS 24 Cb -0.32 -1.62 0.16 0.00 -0.52 0.00 0.00 37.83 35.53 2hc5 s LYS 24 CO 0.41 -0.40 0.36 0.34 -0.92 0.00 0.00 175.35 175.14 2hc5 s ASP 25 N -3.94 3.33 -0.23 2.83 2.15 -1.26 -5.08 116.67 114.47 2hc5 s ASP 25 Ca 0.10 -3.18 -0.26 0.00 0.43 0.00 0.00 52.55 49.64 2hc5 s ASP 25 Cb 0.01 -1.04 0.09 0.00 -0.30 0.00 0.00 42.92 41.68 2hc5 s ASP 25 CO 0.06 -0.17 0.85 0.21 -0.17 0.00 0.00 175.17 175.94 2hc5 s ASN 26 N -0.34 -0.60 -0.21 -0.34 2.47 -1.26 -5.15 114.94 109.52 2hc5 s ASN 26 Ca 0.25 1.04 -0.06 0.00 0.42 0.00 0.00 52.86 54.51 2hc5 s ASN 26 Cb -0.09 1.01 -0.03 0.00 -1.45 0.00 0.00 41.25 40.70 2hc5 s ASN 26 CO -0.12 -0.28 0.02 -0.62 -3.72 0.00 0.00 177.10 172.38 2hc5 s ASP 27 N -0.06 4.94 -0.19 -4.21 -1.08 -1.26 -4.96 116.67 109.84 2hc5 s ASP 27 Ca -0.01 -0.18 0.14 0.00 -0.52 0.00 0.00 52.55 51.98 2hc5 s ASP 27 Cb -0.04 -1.85 0.44 0.00 -1.46 0.00 0.00 42.92 40.01 2hc5 s ASP 27 CO 0.00 0.06 1.20 -0.46 0.52 0.00 0.00 175.17 176.48 2hc5 n ASN 28 N 4.30 2.30 -2.90 -0.34 6.94 -1.26 -4.91 115.26 119.40 2hc5 n ASN 28 Ca -0.17 -3.38 -0.18 0.00 -0.02 0.00 0.00 54.58 50.83 2hc5 n ASN 28 Cb 0.52 -0.44 0.06 0.00 -2.36 0.00 0.00 39.78 37.56 2hc5 n ASN 28 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2hc5 n GLU 29 N -0.70 -6.06 -2.61 -3.83 1.02 -1.26 -5.01 120.64 102.19 2hc5 n GLU 29 Ca 0.21 0.64 -0.41 0.00 -0.02 0.00 0.00 57.16 57.59 2hc5 n GLU 29 Cb 0.84 -5.12 -0.05 0.00 -0.02 0.00 0.00 31.44 27.10 2hc5 n GLU 29 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2hc5 s VAL 30 N -3.25 4.03 -0.53 2.62 0.11 -1.26 -4.94 120.40 117.18 2hc5 s VAL 30 Ca 0.40 1.82 -0.28 0.00 -2.93 0.00 0.00 61.98 60.99 2hc5 s VAL 30 Cb -0.18 -4.16 -0.10 0.00 -1.53 0.00 0.00 36.38 30.42 2hc5 s VAL 30 CO 0.57 0.34 2.42 -2.65 -3.33 0.00 0.00 175.10 172.45 2hc5 n PRO 31 N 2.16 0.97 -3.84 1.54 -0.02 -1.26 -4.93 135.00 129.62 2hc5 n PRO 31 Ca 0.01 0.08 -0.36 0.00 -2.02 0.00 0.00 63.50 61.21 2hc5 n PRO 31 Cb 0.47 -3.03 -0.13 0.00 -0.02 0.00 0.00 33.50 30.79 2hc5 n PRO 31 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2hc5 s VAL 32 N 10.88 3.44 0.04 -1.45 1.01 -1.26 -4.85 120.40 128.21 2hc5 s VAL 32 Ca 1.06 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 61.96 2hc5 s VAL 32 Cb -0.43 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.13 2hc5 s VAL 32 CO 0.33 0.04 0.20 -2.28 0.00 0.00 0.00 175.10 173.39 2hc5 s HIS 33 N 1.39 0.05 -0.42 5.22 2.46 -1.26 -5.11 115.29 117.62 2hc5 s HIS 33 Ca -0.00 -0.27 -0.29 0.00 0.47 0.00 0.00 55.06 54.97 2hc5 s HIS 33 Cb -0.18 -0.02 0.02 0.00 -0.13 0.00 0.00 32.58 32.27 2hc5 s HIS 33 CO -0.00 -0.44 1.24 -0.65 -2.47 0.00 0.00 174.74 172.41 2hc5 s GLN 34 N -2.62 3.74 -0.86 2.88 -0.21 -1.26 -4.94 119.66 116.39 2hc5 s GLN 34 Ca -0.05 0.81 -0.25 0.00 0.02 0.00 0.00 55.36 55.90 2hc5 s GLN 34 Cb -0.01 -3.92 0.00 0.00 1.00 0.00 0.00 33.01 30.08 2hc5 s GLN 34 CO -0.04 -1.36 1.65 0.08 -2.12 0.00 0.00 175.29 173.50 2hc5 s VAL 35 N 4.67 3.63 0.54 1.09 1.01 -1.26 -4.91 120.40 125.17 2hc5 s VAL 35 Ca 0.53 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 2hc5 s VAL 35 Cb -0.11 -4.50 0.02 0.00 0.00 0.00 0.00 36.38 31.79 2hc5 s VAL 35 CO 0.29 -1.43 0.79 -0.55 0.00 0.00 0.00 175.10 174.20 2hc5 s SER 36 N 6.27 5.42 0.38 3.32 0.15 -1.26 -4.95 113.70 123.04 2hc5 s SER 36 Ca 0.55 0.22 0.08 0.00 0.70 0.00 0.00 55.95 57.51 2hc5 s SER 36 Cb -0.06 -1.20 0.83 0.00 -1.71 0.00 0.00 66.02 63.88 2hc5 s SER 36 CO 0.03 -1.06 1.95 0.22 1.20 0.00 0.00 173.24 175.58 2hc5 h TYR 37 N 0.06 0.68 -0.16 3.44 3.20 -1.99 0.15 116.97 122.35 2hc5 h TYR 37 Ca -0.44 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.37 2hc5 h TYR 37 Cb 1.28 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 2hc5 h TYR 37 CO 0.40 0.34 -0.26 1.15 -1.64 0.00 0.00 178.16 178.15 2hc5 h THR 38 N 0.65 1.25 -0.02 1.81 2.02 -1.98 -3.03 112.91 113.61 2hc5 h THR 38 Ca 0.32 -1.18 -0.12 0.00 0.77 0.00 0.00 66.41 66.20 2hc5 h THR 38 Cb 0.40 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 2hc5 h THR 38 CO -0.11 0.36 -0.53 0.78 0.37 0.00 0.00 175.52 176.39 2hc5 h ASN 39 N 0.27 0.05 0.29 4.18 -0.26 -1.05 -2.91 115.58 116.14 2hc5 h ASN 39 Ca 0.04 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 2hc5 h ASN 39 Cb 0.61 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.83 2hc5 h ASN 39 CO 0.04 0.58 -0.28 -0.07 -1.06 0.00 0.00 177.43 176.64 2hc5 h LEU 40 N 0.04 -0.75 -1.35 1.61 -0.00 -1.37 -2.72 115.31 110.76 2hc5 h LEU 40 Ca -0.00 0.07 0.03 0.00 -0.00 0.00 0.00 57.88 57.98 2hc5 h LEU 40 Cb 0.96 0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 41.84 2hc5 h LEU 40 CO 0.07 -0.41 0.46 0.00 -0.00 0.00 0.00 178.44 178.57 2hc5 h ALA 41 N 0.00 1.60 0.45 1.53 0.00 -1.63 0.11 119.26 121.32 2hc5 h ALA 41 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2hc5 h ALA 41 Cb 0.55 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2hc5 h ALA 41 CO -0.06 0.33 -0.33 0.93 0.00 0.00 0.00 179.25 180.13 2hc5 h GLU 42 N 0.85 -0.74 -0.07 0.00 4.39 -1.30 0.97 114.58 118.68 2hc5 h GLU 42 Ca 0.28 0.05 -0.19 0.00 0.34 0.00 0.00 59.36 59.84 2hc5 h GLU 42 Cb 0.06 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2hc5 h GLU 42 CO -0.08 -0.49 -0.74 0.52 -1.16 0.00 0.00 179.01 177.06 2hc5 h MET 43 N -0.77 0.40 -0.61 2.33 2.86 -1.24 -3.13 114.93 114.76 2hc5 h MET 43 Ca -0.05 -0.33 -0.06 0.00 -2.06 0.00 0.00 59.70 57.20 2hc5 h MET 43 Cb 0.65 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 2hc5 h MET 43 CO 0.02 0.97 0.14 0.28 1.06 0.00 0.00 176.91 179.38 2hc5 h VAL 44 N 0.27 1.24 0.25 -2.22 2.07 -0.89 -1.52 116.25 115.46 2hc5 h VAL 44 Ca -0.03 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 2hc5 h VAL 44 Cb 1.32 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2hc5 h VAL 44 CO 0.13 0.34 -0.15 1.23 0.02 0.00 0.00 177.57 179.14 2hc5 h GLY 45 N 1.03 -0.39 2.00 2.17 0.00 -0.75 -1.77 103.07 105.35 2hc5 h GLY 45 Ca 0.20 0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.58 2hc5 h GLY 45 CO 0.00 -0.15 -0.53 1.05 0.00 0.00 0.00 176.54 176.91 2hc5 h GLU 46 N -0.38 0.00 -0.64 4.80 4.11 -1.55 -3.05 114.58 117.86 2hc5 h GLU 46 Ca -0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.38 2hc5 h GLU 46 Cb 0.31 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2hc5 h GLU 46 CO 0.03 0.53 0.29 1.98 0.07 0.00 0.00 179.01 181.92 2hc5 h MET 47 N 0.00 0.94 -0.24 1.06 4.05 -0.98 -2.86 114.93 116.90 2hc5 h MET 47 Ca -0.01 -0.15 -0.06 0.00 -0.28 0.00 0.00 59.70 59.21 2hc5 h MET 47 Cb 0.95 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.58 2hc5 h MET 47 CO 0.07 0.77 -0.08 -0.91 0.23 0.00 0.00 176.91 176.99 2hc5 h ASN 48 N 0.90 0.48 0.21 1.39 2.35 -1.23 -3.02 115.58 116.66 2hc5 h ASN 48 Ca 0.22 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2hc5 h ASN 48 Cb 0.15 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.39 2hc5 h ASN 48 CO -0.02 0.76 0.00 2.29 -1.65 0.00 0.00 177.43 178.80 2hc5 n LYS 49 N -4.54 0.41 0.03 0.81 -0.00 -1.16 -1.57 118.16 112.15 2hc5 n LYS 49 Ca -0.04 0.06 0.04 0.00 -0.00 0.00 0.00 58.31 58.37 2hc5 n LYS 49 Cb 0.31 -1.50 -0.08 0.00 -0.00 0.00 0.00 35.03 33.76 2hc5 n LYS 49 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2hc5 n LEU 50 N -1.17 0.66 -0.01 -5.58 4.77 -1.09 -4.41 117.00 110.17 2hc5 n LEU 50 Ca 0.11 0.28 0.09 0.00 -0.03 0.00 0.00 56.01 56.46 2hc5 n LEU 50 Cb 0.12 0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 41.13 2hc5 n LEU 50 CO 0.13 0.07 -0.73 0.18 -1.33 0.00 0.00 177.39 175.71 2hc5 n LEU 51 N -2.73 0.00 -0.28 2.23 4.77 -0.61 -4.50 117.00 115.88 2hc5 n LEU 51 Ca -0.08 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.91 2hc5 n LEU 51 Cb 0.75 0.01 0.15 0.00 -2.33 0.00 0.00 43.42 42.01 2hc5 n LEU 51 CO 0.43 0.01 1.14 -0.33 -1.33 0.00 0.00 177.39 177.31 2hc5 h GLU 52 N 0.00 0.78 -0.29 3.23 4.39 -1.60 -1.72 114.58 119.37 2hc5 h GLU 52 Ca -0.02 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2hc5 h GLU 52 Cb 0.87 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2hc5 h GLU 52 CO 0.00 0.52 0.00 -0.35 -1.16 0.00 0.00 179.01 178.02 2hc5 n PRO 53 N -4.73 0.79 -2.55 2.33 -0.04 -1.26 -4.80 135.00 124.73 2hc5 n PRO 53 Ca 0.12 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.52 2hc5 n PRO 53 Cb 0.24 -1.14 -0.01 0.00 -0.04 0.00 0.00 33.50 32.54 2hc5 n PRO 53 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2hc5 n SER 54 N -0.28 1.72 0.07 3.54 3.41 -0.65 -4.15 113.62 117.29 2hc5 n SER 54 Ca 0.00 -1.48 0.12 0.00 -0.26 0.00 0.00 58.87 57.26 2hc5 n SER 54 Cb 0.07 0.14 0.26 0.00 -0.26 0.00 0.00 64.21 64.42 2hc5 n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hc5 n GLN 55 N -0.24 0.27 -1.94 4.33 3.00 -0.29 -4.53 117.38 117.98 2hc5 n GLN 55 Ca -0.03 0.13 -0.41 0.00 -0.01 0.00 0.00 57.00 56.68 2hc5 n GLN 55 Cb 0.14 -1.72 -0.02 0.00 0.00 0.00 0.00 30.24 28.64 2hc5 n GLN 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2hc5 n VAL 56 N -2.15 3.19 -2.83 5.09 0.31 -1.15 -4.85 118.33 115.93 2hc5 n VAL 56 Ca 0.04 -3.02 -0.44 0.00 -0.01 0.00 0.00 64.34 60.91 2hc5 n VAL 56 Cb 0.43 -2.44 0.00 0.00 -0.91 0.00 0.00 33.84 30.93 2hc5 n VAL 56 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2hc5 n HIS 57 N 7.92 4.84 -3.29 3.52 8.25 -1.26 -4.54 115.22 130.67 2hc5 n HIS 57 Ca 0.50 -3.21 -0.38 0.00 -0.26 0.00 0.00 57.72 54.37 2hc5 n HIS 57 Cb 0.42 -2.31 -0.06 0.00 1.12 0.00 0.00 29.99 29.17 2hc5 n HIS 57 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2hc5 s LEU 58 N 2.23 4.40 -0.37 2.41 1.43 -1.26 -2.44 118.68 125.08 2hc5 s LEU 58 Ca 0.46 1.05 -0.05 0.00 -1.03 0.00 0.00 54.13 54.56 2hc5 s LEU 58 Cb -0.01 -2.81 0.07 0.00 0.03 0.00 0.00 46.19 43.47 2hc5 s LEU 58 CO 0.02 0.13 0.15 -0.54 0.23 0.00 0.00 176.35 176.33 2hc5 s LYS 59 N -0.20 2.41 -0.02 1.70 1.02 0.43 -4.96 119.74 120.13 2hc5 s LYS 59 Ca 0.28 -1.44 -0.29 0.00 0.02 0.00 0.00 55.97 54.55 2hc5 s LYS 59 Cb -0.17 -3.51 -0.03 0.00 -0.52 0.00 0.00 37.83 33.60 2hc5 s LYS 59 CO 0.15 -0.83 0.95 -0.06 -0.92 0.00 0.00 175.35 174.64 2hc5 s PHE 60 N 1.31 3.63 -0.08 3.18 0.08 -1.26 -1.42 117.98 123.42 2hc5 s PHE 60 Ca 0.01 1.64 0.04 0.00 0.12 0.00 0.00 56.93 58.74 2hc5 s PHE 60 Cb -0.21 -3.10 -0.01 0.00 -0.57 0.00 0.00 43.02 39.13 2hc5 s PHE 60 CO -0.00 -0.03 -0.22 -1.21 -0.10 0.00 0.00 175.22 173.66 2hc5 s GLU 61 N 1.13 2.78 -0.31 0.44 0.41 -0.12 -4.97 118.70 118.06 2hc5 s GLU 61 Ca 0.50 -0.84 -0.13 0.00 -0.41 0.00 0.00 54.97 54.09 2hc5 s GLU 61 Cb -0.20 -2.29 -0.03 0.00 -1.78 0.00 0.00 34.13 29.82 2hc5 s GLU 61 CO 0.26 0.34 0.28 -1.17 -0.49 0.00 0.00 175.26 174.47 2hc5 s LEU 62 N -0.04 4.27 -0.06 1.80 2.96 -1.26 -0.40 118.68 125.95 2hc5 s LEU 62 Ca -0.06 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.73 2hc5 s LEU 62 Cb -0.15 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.33 2hc5 s LEU 62 CO 0.05 -0.20 -0.08 -1.00 -1.32 0.00 0.00 176.35 173.80 2hc5 s HIS 63 N 1.86 1.10 -0.07 5.38 3.76 -0.36 -4.98 115.29 121.99 2hc5 s HIS 63 Ca 0.09 -0.38 -0.07 0.00 -0.15 0.00 0.00 55.06 54.55 2hc5 s HIS 63 Cb -0.16 -0.87 -0.04 0.00 1.11 0.00 0.00 32.58 32.61 2hc5 s HIS 63 CO 0.11 -0.24 0.20 0.16 -0.85 0.00 0.00 174.74 174.12 2hc5 s ASP 64 N 0.83 6.46 -0.12 1.40 -4.77 -1.26 -1.48 116.67 117.73 2hc5 s ASP 64 Ca -0.12 0.53 -0.05 0.00 -3.30 0.00 0.00 52.55 49.61 2hc5 s ASP 64 Cb -0.15 -2.09 0.06 0.00 -1.09 0.00 0.00 42.92 39.65 2hc5 s ASP 64 CO 0.01 0.35 0.26 -1.59 0.70 0.00 0.00 175.17 174.91 2hc5 s LYS 65 N -1.29 0.18 0.77 2.11 -2.85 0.12 -4.96 119.74 113.83 2hc5 s LYS 65 Ca 0.20 0.68 0.00 0.00 -1.00 0.00 0.00 55.97 55.85 2hc5 s LYS 65 Cb -0.13 -0.06 0.00 0.00 -2.06 0.00 0.00 37.83 35.58 2hc5 s LYS 65 CO 0.09 -0.24 0.00 -0.11 0.10 0.00 0.00 175.35 175.19 2hc5 n LEU 66 N 4.94 0.00 0.00 2.77 0.00 -1.26 -0.05 117.00 123.40 2hc5 n LEU 66 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.88 2hc5 n LEU 66 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.93 2hc5 n LEU 66 CO 0.07 0.00 -0.07 -3.20 0.00 0.00 0.00 177.39 174.19 2hc5 n ASN 67 N 1.95 0.66 -4.77 1.96 5.15 -1.26 -5.08 115.26 113.87 2hc5 n ASN 67 Ca 0.00 -0.27 -0.23 0.00 -0.60 0.00 0.00 54.58 53.48 2hc5 n ASN 67 Cb 0.00 0.68 -0.06 0.00 -0.53 0.00 0.00 39.78 39.87 2hc5 n ASN 67 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2hc5 s GLU 68 N -0.81 2.38 -0.27 1.20 0.41 0.93 -5.11 118.70 117.43 2hc5 s GLU 68 Ca 0.00 -1.62 -0.01 0.00 -0.41 0.00 0.00 54.97 52.93 2hc5 s GLU 68 Cb 0.00 -2.17 0.13 0.00 -1.78 0.00 0.00 34.13 30.31 2hc5 s GLU 68 CO 0.00 -0.02 0.31 1.52 -0.49 0.00 0.00 175.26 176.58 2hc5 s TYR 69 N -2.48 -0.56 0.36 1.61 -0.85 -1.26 0.14 117.35 114.31 2hc5 s TYR 69 Ca 0.41 0.11 0.08 0.00 -0.52 0.00 0.00 57.07 57.15 2hc5 s TYR 69 Cb -0.01 -0.33 -0.04 0.00 0.38 0.00 0.00 41.96 41.96 2hc5 s TYR 69 CO 0.24 -0.84 0.17 1.52 -1.52 0.00 0.00 175.55 175.11 2hc5 s TYR 70 N 2.41 2.70 -0.30 -3.49 1.13 -0.55 -4.26 117.35 114.99 2hc5 s TYR 70 Ca 0.10 -0.42 -0.08 0.00 -1.41 0.00 0.00 57.07 55.25 2hc5 s TYR 70 Cb -0.14 -1.74 -0.00 0.00 -1.10 0.00 0.00 41.96 38.98 2hc5 s TYR 70 CO -0.26 0.27 0.12 0.08 -2.51 0.00 0.00 175.55 173.25 2hc5 s VAL 71 N -2.45 4.35 -0.15 -3.49 1.01 -0.63 -1.22 120.40 117.82 2hc5 s VAL 71 Ca 0.39 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 2hc5 s VAL 71 Cb -0.02 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 2hc5 s VAL 71 CO 0.23 0.08 0.22 -1.59 0.00 0.00 0.00 175.10 174.05 2hc5 s LYS 72 N 1.57 4.04 -0.35 2.72 -2.85 0.47 -1.31 119.74 124.03 2hc5 s LYS 72 Ca 0.04 -0.01 -0.20 0.00 -1.00 0.00 0.00 55.97 54.79 2hc5 s LYS 72 Cb -0.17 -3.36 0.00 0.00 -2.06 0.00 0.00 37.83 32.25 2hc5 s LYS 72 CO 0.05 0.41 0.63 0.08 0.10 0.00 0.00 175.35 176.62 2hc5 s VAL 73 N -0.02 4.90 -0.26 1.79 1.01 0.18 -0.95 120.40 127.05 2hc5 s VAL 73 Ca 0.14 0.61 -0.10 0.00 0.00 0.00 0.00 61.98 62.63 2hc5 s VAL 73 Cb -0.13 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 2hc5 s VAL 73 CO 0.03 -0.30 0.15 -0.63 0.00 0.00 0.00 175.10 174.36 2hc5 s ILE 74 N 2.69 5.12 -0.24 2.22 1.01 -0.50 -0.84 121.20 130.66 2hc5 s ILE 74 Ca 0.24 0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.71 2hc5 s ILE 74 Cb -0.15 -3.41 0.01 0.00 0.01 0.00 0.00 42.46 38.92 2hc5 s ILE 74 CO 0.14 0.30 1.03 -0.70 0.00 0.00 0.00 174.94 175.72 2hc5 s GLU 75 N 1.48 4.22 0.41 2.79 2.12 -0.45 -0.43 118.70 128.84 2hc5 s GLU 75 Ca 0.07 1.29 0.07 0.00 0.36 0.00 0.00 54.97 56.76 2hc5 s GLU 75 Cb -0.15 -3.66 0.85 0.00 0.26 0.00 0.00 34.13 31.43 2hc5 s GLU 75 CO 0.07 -0.67 2.05 0.22 -0.54 0.00 0.00 175.26 176.40 2hc5 h ASP 76 N 7.56 0.46 0.87 -1.70 3.58 -1.81 0.48 116.42 125.87 2hc5 h ASP 76 Ca -0.19 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.22 2hc5 h ASP 76 Cb 1.06 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.99 2hc5 h ASP 76 CO 0.98 0.35 -0.10 0.77 -2.88 0.00 0.00 179.24 178.36 2hc5 h SER 77 N 0.54 0.00 0.00 2.28 4.64 -1.92 -3.23 113.55 115.86 2hc5 h SER 77 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2hc5 h SER 77 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2hc5 h SER 77 CO -0.03 0.10 -0.95 0.35 -0.87 0.00 0.00 176.83 175.43 2hc5 n THR 78 N -3.27 0.00 -1.17 2.95 -2.24 -0.77 -5.02 114.28 104.76 2hc5 n THR 78 Ca -0.00 -0.09 -0.06 0.00 -2.27 0.00 0.00 64.05 61.63 2hc5 n THR 78 Cb 0.34 0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 69.07 2hc5 n THR 78 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2hc5 n ASN 79 N -1.49 -4.08 -4.45 3.42 5.03 0.16 -5.01 115.26 108.85 2hc5 n ASN 79 Ca -0.00 0.14 -0.23 0.00 0.87 0.00 0.00 54.58 55.36 2hc5 n ASN 79 Cb 0.04 -2.08 -0.10 0.00 -1.02 0.00 0.00 39.78 36.62 2hc5 n ASN 79 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 2hc5 s GLU 80 N -2.10 1.61 -0.27 3.52 -1.05 -1.24 -4.91 118.70 114.26 2hc5 s GLU 80 Ca 0.00 -1.76 -0.29 0.00 -0.15 0.00 0.00 54.97 52.77 2hc5 s GLU 80 Cb 0.00 -1.52 0.01 0.00 -0.44 0.00 0.00 34.13 32.18 2hc5 s GLU 80 CO 0.00 0.22 1.13 0.08 0.95 0.00 0.00 175.26 177.64 2hc5 s VAL 81 N -2.71 4.46 -0.56 1.83 1.01 -1.26 -1.34 120.40 121.83 2hc5 s VAL 81 Ca 0.29 1.72 0.21 0.00 0.00 0.00 0.00 61.98 64.20 2hc5 s VAL 81 Cb -0.01 -4.29 -0.27 0.00 0.00 0.00 0.00 36.38 31.81 2hc5 s VAL 81 CO 0.13 -0.35 0.70 2.30 0.00 0.00 0.00 175.10 177.88 2hc5 n ILE 82 N 5.70 0.00 -3.65 2.22 -5.35 -0.02 -4.96 119.36 113.31 2hc5 n ILE 82 Ca 0.13 -0.22 -0.09 0.00 -0.27 0.00 0.00 62.75 62.29 2hc5 n ILE 82 Cb 0.46 0.56 -0.08 0.00 -1.74 0.00 0.00 39.64 38.85 2hc5 n ILE 82 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2hc5 s ARG 83 N -3.20 0.69 -0.20 6.28 6.06 -1.21 -5.02 118.95 122.35 2hc5 s ARG 83 Ca 0.01 1.09 0.01 0.00 -2.50 0.00 0.00 55.73 54.34 2hc5 s ARG 83 Cb 0.15 0.19 0.03 0.00 0.06 0.00 0.00 34.95 35.37 2hc5 s ARG 83 CO 0.87 -0.13 -0.18 -1.21 -2.50 0.00 0.00 175.30 172.15 2hc5 s GLU 84 N 1.24 2.88 -0.26 5.12 2.02 -1.26 0.48 118.70 128.93 2hc5 s GLU 84 Ca -0.07 -0.91 -0.03 0.00 0.02 0.00 0.00 54.97 53.98 2hc5 s GLU 84 Cb -0.05 -2.64 0.02 0.00 0.10 0.00 0.00 34.13 31.55 2hc5 s GLU 84 CO -0.13 -0.27 -0.03 0.42 0.02 0.00 0.00 175.26 175.27 2hc5 s ILE 85 N 1.27 3.14 0.62 -1.63 1.09 -0.43 -5.00 121.20 120.26 2hc5 s ILE 85 Ca 0.03 -0.93 -0.18 0.00 -1.10 0.00 0.00 60.65 58.47 2hc5 s ILE 85 Cb -0.14 -2.59 -0.02 0.00 -1.06 0.00 0.00 42.46 38.64 2hc5 s ILE 85 CO -0.11 0.18 1.19 -2.16 -0.10 0.00 0.00 174.94 173.94 2hc5 s PRO 86 N 1.37 2.86 0.50 2.79 0.04 -1.26 -1.61 135.00 139.69 2hc5 s PRO 86 Ca 0.01 1.76 0.19 0.00 0.04 0.00 0.00 61.00 63.00 2hc5 s PRO 86 Cb -0.17 -1.92 1.26 0.00 0.04 0.00 0.00 34.50 33.71 2hc5 s PRO 86 CO -0.03 -1.28 2.04 -1.00 0.04 0.00 0.00 177.00 176.77 2hc5 h PRO 87 N 0.65 0.11 -0.03 0.56 0.13 -1.94 0.64 132.00 132.11 2hc5 h PRO 87 Ca -0.50 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2hc5 h PRO 87 Cb 1.29 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2hc5 h PRO 87 CO 0.54 0.07 0.00 0.36 -0.23 0.00 0.00 178.00 178.75 2hc5 n LYS 88 N -4.45 1.15 0.00 0.86 2.85 -1.26 -2.48 118.16 114.83 2hc5 n LYS 88 Ca 0.06 -0.23 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 2hc5 n LYS 88 Cb 0.39 -1.34 0.00 0.00 -0.65 0.00 0.00 35.03 33.43 2hc5 n LYS 88 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2hc5 n ARG 89 N -0.58 0.57 0.15 -1.58 1.74 0.12 -4.78 116.66 112.29 2hc5 n ARG 89 Ca 0.16 -0.25 0.02 0.00 -0.77 0.00 0.00 57.85 57.00 2hc5 n ARG 89 Cb 0.13 -0.71 0.37 0.00 -1.02 0.00 0.00 32.46 31.22 2hc5 n ARG 89 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 2hc5 h TRP 90 N 0.00 0.13 -0.78 -1.55 2.91 -0.98 -2.47 115.95 113.21 2hc5 h TRP 90 Ca 0.00 -0.02 -0.04 0.00 1.13 0.00 0.00 58.89 59.96 2hc5 h TRP 90 Cb 0.13 -0.03 -0.04 0.00 -0.51 0.00 0.00 29.16 28.71 2hc5 h TRP 90 CO 0.00 0.38 0.33 -0.07 -1.03 0.00 0.00 178.44 178.05 2hc5 h LEU 91 N 0.11 1.06 -0.12 0.65 3.38 -1.87 0.19 115.31 118.71 2hc5 h LEU 91 Ca 0.02 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 2hc5 h LEU 91 Cb 0.53 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2hc5 h LEU 91 CO 0.04 0.92 -0.29 -0.78 0.09 0.00 0.00 178.44 178.42 2hc5 h ASP 92 N 1.13 0.47 -0.79 -0.43 3.58 -1.78 -2.35 116.42 116.24 2hc5 h ASP 92 Ca 0.26 -0.58 0.02 0.00 0.42 0.00 0.00 57.03 57.16 2hc5 h ASP 92 Cb 0.18 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.05 2hc5 h ASP 92 CO -0.03 0.96 0.51 0.15 -2.88 0.00 0.00 179.24 177.96 2hc5 h PHE 93 N -0.00 0.97 -0.11 0.28 3.57 -1.28 0.31 116.94 120.68 2hc5 h PHE 93 Ca -0.00 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.57 2hc5 h PHE 93 Cb 0.89 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 2hc5 h PHE 93 CO 0.11 0.59 -0.22 -0.92 -2.23 0.00 0.00 178.31 175.63 2hc5 h TYR 94 N 1.03 -0.59 -0.27 0.41 3.20 -0.58 -1.11 116.97 119.06 2hc5 h TYR 94 Ca 0.30 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.17 2hc5 h TYR 94 Cb -0.06 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 2hc5 h TYR 94 CO -0.02 -0.30 0.05 0.00 -1.64 0.00 0.00 178.16 176.25 2hc5 h ALA 95 N 0.66 0.36 -0.47 1.82 0.00 -0.93 -0.82 119.26 119.89 2hc5 h ALA 95 Ca 0.09 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.92 2hc5 h ALA 95 Cb 0.43 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 2hc5 h ALA 95 CO -0.28 0.03 -0.07 0.00 0.00 0.00 0.00 179.25 178.93 2hc5 h ALA 96 N 0.88 0.36 0.00 0.00 0.00 -0.09 -0.31 119.26 120.10 2hc5 h ALA 96 Ca 0.08 0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 2hc5 h ALA 96 Cb 0.31 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2hc5 h ALA 96 CO 0.00 -0.43 -0.92 1.98 0.00 0.00 0.00 179.25 179.88 2hc5 h MET 97 N 0.04 0.00 -0.38 0.00 1.85 -1.19 -3.13 114.93 112.13 2hc5 h MET 97 Ca 0.23 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.29 2hc5 h MET 97 Cb 0.35 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.36 2hc5 h MET 97 CO -0.45 0.76 0.10 1.15 -0.40 0.00 0.00 176.91 178.07 2hc5 h THR 98 N 0.00 1.22 -0.68 -0.77 2.02 -0.32 0.78 112.91 115.17 2hc5 h THR 98 Ca -0.04 -0.74 0.05 0.00 0.77 0.00 0.00 66.41 66.46 2hc5 h THR 98 Cb 1.66 0.99 -0.05 0.00 -1.74 0.00 0.00 68.15 69.00 2hc5 h THR 98 CO 0.10 0.25 0.39 -0.33 0.37 0.00 0.00 175.52 176.31 2hc5 h GLU 99 N 0.46 0.71 0.57 6.66 3.07 -1.16 0.46 114.58 125.35 2hc5 h GLU 99 Ca 0.12 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.91 2hc5 h GLU 99 Cb 0.28 -0.16 0.01 0.00 -0.84 0.00 0.00 28.75 28.04 2hc5 h GLU 99 CO -0.00 0.47 -0.27 0.35 -1.40 0.00 0.00 179.01 178.15 2hc5 h PHE 100 N 0.73 -0.71 -0.32 4.33 3.57 -1.39 -2.88 116.94 120.27 2hc5 h PHE 100 Ca 0.30 -0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.66 2hc5 h PHE 100 Cb 0.16 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2hc5 h PHE 100 CO -0.07 -0.38 -0.28 -0.07 -2.23 0.00 0.00 178.31 175.28 2hc5 h LEU 101 N -0.96 0.69 -0.52 0.59 3.38 0.71 -2.38 115.31 116.81 2hc5 h LEU 101 Ca -0.08 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2hc5 h LEU 101 Cb 0.65 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2hc5 h LEU 101 CO 0.13 0.93 0.00 0.61 0.09 0.00 0.00 178.44 180.20 2hc5 n GLY 102 N -0.19 -1.21 0.18 0.83 0.00 0.16 -0.69 105.19 104.27 2hc5 n GLY 102 Ca -0.01 0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.12 2hc5 n GLY 102 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2hc5 h LEU 103 N 0.00 0.00 0.00 0.99 3.38 -1.19 -3.34 115.31 115.15 2hc5 h LEU 103 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 2hc5 h LEU 103 Cb 0.34 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 2hc5 h LEU 103 CO 0.00 0.36 -1.32 0.49 0.09 0.00 0.00 178.44 178.06 2hc5 n PHE 104 N -3.32 0.97 -1.63 1.13 3.01 0.13 -3.43 117.46 114.33 2hc5 n PHE 104 Ca 0.01 0.42 -0.32 0.00 1.01 0.00 0.00 57.45 58.57 2hc5 n PHE 104 Cb 0.58 -1.09 0.05 0.00 -0.01 0.00 0.00 39.48 39.02 2hc5 n PHE 104 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 2hc5 s VAL 105 N -2.37 3.46 -0.49 -4.37 -7.23 -0.05 -3.63 120.40 105.72 2hc5 s VAL 105 Ca -0.29 0.59 -0.27 0.00 -1.81 0.00 0.00 61.98 60.20 2hc5 s VAL 105 Cb 0.06 -3.13 -0.02 0.00 0.56 0.00 0.00 36.38 33.85 2hc5 s VAL 105 CO 0.58 -0.51 1.84 -0.62 -0.31 0.00 0.00 175.10 176.08 2hc5 s ASP 106 N -3.02 5.51 -0.00 4.85 2.15 -1.26 -4.82 116.67 120.08 2hc5 s ASP 106 Ca 0.63 0.74 -0.00 0.00 0.43 0.00 0.00 52.55 54.36 2hc5 s ASP 106 Cb -0.18 -2.53 -0.01 0.00 -0.30 0.00 0.00 42.92 39.91 2hc5 s ASP 106 CO 0.47 -2.11 0.59 1.21 -0.17 0.00 0.00 175.17 175.16 2hc5 n GLU 107 N 8.85 0.05 0.00 4.34 2.13 -1.26 -1.10 120.64 133.64 2hc5 n GLU 107 Ca 0.22 -0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.99 2hc5 n GLU 107 Cb 0.50 -1.53 0.00 0.00 0.27 0.00 0.00 31.44 30.68 2hc5 n GLU 107 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2hc5 n LYS 108 N 3.07 0.00 0.00 5.31 5.02 -1.26 -4.85 118.16 125.45 2hc5 n LYS 108 Ca 0.01 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.40 2hc5 n LYS 108 Cb 0.02 -0.15 0.49 0.00 -0.02 0.00 0.00 35.03 35.37 2hc5 n LYS 108 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2hc5 n LYS 109 N -1.87 0.13 -0.23 1.97 5.02 -0.26 -3.53 118.16 119.39 2hc5 n LYS 109 Ca 0.00 0.11 -0.06 0.00 -2.02 0.00 0.00 58.31 56.34 2hc5 n LYS 109 Cb 0.00 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.59 2hc5 n LYS 109 CO 0.00 0.00 0.00 1.37 -0.52 0.00 0.00 177.40 178.25 2hc5 h LEU 110 N 0.00 1.01 -1.51 -0.35 8.10 -1.86 -3.46 115.31 117.24 2hc5 h LEU 110 Ca 0.00 -0.21 -0.24 0.00 0.11 0.00 0.00 57.88 57.54 2hc5 h LEU 110 Cb 0.30 -0.27 -0.12 0.00 -0.44 0.00 0.00 40.66 40.13 2hc5 h LEU 110 CO 0.00 0.97 -0.37 -0.62 -4.11 0.00 0.00 178.44 174.32 2hc5 n GLU 111 N -4.24 -0.93 -3.51 0.17 -0.58 -1.23 -4.84 120.64 105.48 2hc5 n GLU 111 Ca 0.05 0.05 -0.40 0.00 -0.42 0.00 0.00 57.16 56.44 2hc5 n GLU 111 Cb 0.25 -1.64 -0.04 0.00 -0.57 0.00 0.00 31.44 29.44 2hc5 n GLU 111 CO 0.00 0.00 0.00 -3.38 -0.48 0.00 0.00 177.13 173.27 2hc5 s HIS 112 N -2.63 4.00 -0.64 -0.32 -3.43 -1.26 -5.01 115.29 106.00 2hc5 s HIS 112 Ca 0.18 -2.82 -0.21 0.00 -0.80 0.00 0.00 55.06 51.41 2hc5 s HIS 112 Cb -0.11 -3.50 0.08 0.00 -1.43 0.00 0.00 32.58 27.63 2hc5 s HIS 112 CO 0.40 -0.84 0.87 -3.38 -2.00 0.00 0.00 174.74 169.79 2hc5 s HIS 113 N -1.14 2.81 -0.73 0.38 -3.43 -1.26 -4.97 115.29 106.94 2hc5 s HIS 113 Ca 0.27 -0.73 -0.18 0.00 -0.80 0.00 0.00 55.06 53.63 2hc5 s HIS 113 Cb -0.09 -4.19 0.14 0.00 -1.43 0.00 0.00 32.58 27.01 2hc5 s HIS 113 CO -0.10 -1.51 0.83 -1.01 -2.00 0.00 0.00 174.74 170.94 2hc5 s HIS 114 N 3.51 3.20 -1.05 0.38 3.76 -1.26 -4.99 115.29 118.84 2hc5 s HIS 114 Ca 0.18 -1.30 -0.22 0.00 -0.15 0.00 0.00 55.06 53.57 2hc5 s HIS 114 Cb -0.19 -4.04 0.05 0.00 1.11 0.00 0.00 32.58 29.51 2hc5 s HIS 114 CO 0.08 -1.28 1.48 -1.58 -0.85 0.00 0.00 174.74 172.59 2hc5 s HIS 115 N 2.12 2.57 -0.47 1.40 2.46 -1.26 -4.74 115.29 117.37 2hc5 s HIS 115 Ca 0.18 -0.94 0.06 0.00 0.47 0.00 0.00 55.06 54.83 2hc5 s HIS 115 Cb -0.16 -4.70 0.18 0.00 -0.13 0.00 0.00 32.58 27.77 2hc5 s HIS 115 CO -0.01 -1.92 0.57 -1.58 -2.47 0.00 0.00 174.74 169.33 2hc5 s HIS 116 N 4.86 -0.66 0.00 3.88 2.46 -1.26 -5.24 115.29 119.34 2hc5 s HIS 116 Ca 0.47 -1.12 0.00 0.00 0.47 0.00 0.00 55.06 54.88 2hc5 s HIS 116 Cb 0.00 -0.13 0.00 0.00 -0.13 0.00 0.00 32.58 32.32 2hc5 s HIS 116 CO -0.08 -1.11 0.12 0.72 -2.47 0.00 0.00 174.74 171.92